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Home > Other Heterocycles > 89724-94-7
89724-94-7 | 2,8-Dioxabicyclo[3.2.1]octan-3-one
CAS No: 89724-94-7 Catalog No: AG004202 MDL No:
Product Description
Catalog Number:
AG004202
Chemical Name:
2,8-Dioxabicyclo[3.2.1]octan-3-one
CAS Number:
89724-94-7
Molecular Formula:
C6H8O3
Molecular Weight:
128.1259
IUPAC Name:
2,8-dioxabicyclo[3.2.1]octan-3-one
InChI:
InChI=1S/C6H8O3/c7-5-3-4-1-2-6(8-4)9-5/h4,6H,1-3H2
InChI Key:
RMYLWHSFSNRVSG-UHFFFAOYSA-N
SMILES:
O=C1CC2CCC(O1)O2
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.047g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.127g/mol
Monoisotopic Mass:
128.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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